DA-PROTAC

cas: 2488660-12-2 — see every product listed under this CAS number, including other names

DA-PROTAC (CAS 2488660-12-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

N-(2-bromo-4,6-difluorophenyl)-6-[[2-[3-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]acetyl]amino]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide (CAS 2488660-12-2) is a chemical compound with the molecular formula C46H50BrF2N7O8S2 and a molecular weight of 1011.0 g/mol. IUPAC name: N-(2-bromo-4,6-difluorophenyl)-6-[[2-[3-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]acetyl]amino]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide. InChIKey: JOTYHUMJYRIDFR-NXQMYTAISA-N.

Identity
Molecular formulaC46H50BrF2N7O8S2
Molecular weight1011.0 g/mol
IUPAC nameN-(2-bromo-4,6-difluorophenyl)-6-[[2-[3-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]acetyl]amino]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
InChIKeyJOTYHUMJYRIDFR-NXQMYTAISA-N
SMILESCC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)C(C(C)(C)C)NC(=O)COCCCOCC(=O)NC4=C(SC5=C4C=C6CCCC6=N5)C(=O)NC7=C(C=C(C=C7Br)F)F)O

Computed by PubChem (NCBI)

Synonyms: DA-PROTAC, orb1942160

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